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January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
79130
Molecular Scaffold
dnd@@DjYrbhfjjjHEDIT`_p`Xf@
Molecular Formula
C8H10O
Elemental Composition %
C: 42.1052631578947%
H: 52.6315789473684%
O: 5.26315789473684%
N: 0%
Weight
122.166
Programa de Cálculo
G16
SMILES
C[C@@](C[C@@H]1[C@H]2[C@H]11)[C@@]2[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12O/c1-3-2-4-6-5(3)8(9)7(4)6/h3-9H,2H2,1H3/t3-,4+,5-,6+,7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KCKHQHFBXVNRCP-QXFQYNETSA-N